![CAS 1218771-02-8 2,7-Bis(trimethylstannyl)naphtho[1,2-b:5,6-b’]dithiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1218771-02-8.gif)
CAS RN: 1218771-02-8
2,7-Bis(trimethylstannyl)naphtho[1,2-b:5,6-b’]dithiophene
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251204 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260315 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250522 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251118 | 250mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250906 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250803 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1218771-02-8
- Purity/Analytical Methods: >99.0%
1218771-02-8 / trimethyl-(2-trimethylstannyl-[1]benzothiolo[7,6-g][1]benzothiol-7-yl)stannane
Basic Information
CAS
1218771-02-8
Multi CAS
No
Molecular Formula
C20H24S2Sn2
Molecular Weight
566.000000
Exact Mass
565.935750
SMILES
C[Sn](C)(C)C1=CC2=C(S1)C3=C(C=C2)C4=C(C=C3)C=C(S4)[Sn](C)(C)C
InChI
InChI=1S/C14H6S2.6CH3.2Sn/c1-3-11-12(13-9(1)5-7-15-13)4-2-10-6-8-16-14(10)11;;;;;;;;/h1-6H;6*1H3;;
InChIKey
BTKBDGJRKILTRR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
120.67
TPSA
56.5000
LogP / Solubility
WLOGP
6.36
MLOGP
5.64
XLogP3
6.36
Consensus LogP
6.12
Log S (ESOL)
-7.72
Class (ESOL)
Insoluble
Log S (Ali)
-8.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.86
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.66
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
3
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